CID 71364326

3-methyl-5-phenylpent-2-en-1-ol

Structural Information

Molecular Formula
C12H16O
SMILES
CC(=CCO)CCC1=CC=CC=C1
InChI
InChI=1S/C12H16O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3
InChIKey
RWYNOPXFCUWVIZ-UHFFFAOYSA-N
Compound name
3-methyl-5-phenylpent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

176.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 140.9
[M+Na]+ 199.10934 146.8
[M-H]- 175.11284 142.7
[M+NH4]+ 194.15394 160.4
[M+K]+ 215.08328 143.6
[M+H-H2O]+ 159.11738 135.2
[M+HCOO]- 221.11832 162.5
[M+CH3COO]- 235.13397 179.1
[M+Na-2H]- 197.09479 145.8
[M]+ 176.11957 140.1
[M]- 176.12067 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe